6-oxo-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyridine-3-carboxamide

C12H14N4O2 — CID 62904281

IUPAC6-oxo-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyridine-3-carboxamide
SMILESCC(C)n1cc(NC(=O)c2ccc(=O)[nH]c2)cn1
InChIInChI=1S/C12H14N4O2/c1-8(2)16-7-10(6-14-16)15-12(18)9-3-4-11(17)13-5-9/h3-8H,1-2H3,(H,13,17)(H,15,18)
InChIKeyNYSDGQRBUZUGCI-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.40
Rot. Bonds3

About 6-oxo-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyridine-3-carboxamide

6-oxo-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyridine-3-carboxamide (PubChem CID 62904281) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-oxo-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyridine-3-carboxamide
PubChem CID62904281
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name6-oxo-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyridine-3-carboxamide
SMILESCC(C)n1cc(NC(=O)c2ccc(=O)[nH]c2)cn1
InChIInChI=1S/C12H14N4O2/c1-8(2)16-7-10(6-14-16)15-12(18)9-3-4-11(17)13-5-9/h3-8H,1-2H3,(H,13,17)(H,15,18)
InChIKeyNYSDGQRBUZUGCI-UHFFFAOYSA-N
XLogP1.40
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-carboxamide
CID 62904126
N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 61067363
6-bromo-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide
CID 66462563
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 47287779
N-[1-(2-fluorophenyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 75378606
3-propan-2-yloxy-N-(1-propan-2-ylpyrazol-4-yl)benzamide
CID 134702922
N-(1-propan-2-ylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 71933883
6-oxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide
CID 97427968
6-oxo-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-1H-pyridine-3-carboxamide
CID 97427967
N-(1-propan-2-ylpyrazol-4-yl)-6-(propylamino)pyridine-3-carboxamide
CID 62903269
N-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 8745096
4-amino-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-5-carboxamide
CID 65360004

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyridine-3-carboxamide (CID 62904281) is 6-oxo-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyridine-3-carboxamide is CC(C)n1cc(NC(=O)c2ccc(=O)[nH]c2)cn1.
What is the InChIKey of 6-oxo-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyridine-3-carboxamide?
The InChIKey is NYSDGQRBUZUGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8(2)16-7-10(6-14-16)15-12(18)9-3-4-11(17)13-5-9/h3-8H,1-2H3,(H,13,17)(H,15,18).
What are the key properties of 6-oxo-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyridine-3-carboxamide?
6-oxo-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyridine-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 62904281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).